N-ethyl-N-[2-[methyl-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]amino]ethyl]-4-oxidanylidene-4-(6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)butanamide

Systemtic Name: N-ethyl-N-[2-[methyl-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]amino]ethyl]-4-oxidanylidene-4-(6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)butanamide Openeye Name: N-ethyl-N-[2-[[4-(4-isopropylpiperazin-1-yl)phenyl]methyl-methyl-amino]ethyl]-4-oxo-4-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)butanamide CAS Name: N-ethyl-N-[2-[methyl-[[4-(4-propan-2-yl-1-piperazinyl)phenyl]methyl]amino]ethyl]-4-oxo-4-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)butanamide IUPAC Name: N-ethyl-N-[2-[methyl-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]amino]ethyl]-4-oxo-4-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)butanamide Traditional Name: N-ethyl-N-[2-[[4-(4-isopropylpiperazino)benzyl]-methyl-amino]ethyl]-4-keto-4-(6-keto-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)butyramide Formula: C35H45N7O3 MolecularWeight: 611.7769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN(C)CC1=CC=C(C=C1)N2CCN(CC2)C(C)C)C(=O)CCC(=O)N3C4=CC=CC=C4C(=O)NC5=C3N=CC=C5

Isomeric SMILES

CCN(CCN(C)CC1=CC=C(C=C1)N2CCN(CC2)C(C)C)C(=O)CCC(=O)N3C4=CC=CC=C4C(=O)NC5=C3N=CC=C5

InChI

InChI=1S/C35H45N7O3/c1-5-39(20-19-38(4)25-27-12-14-28(15-13-27)41-23-21-40(22-24-41)26(2)3)32(43)16-17-33(44)42-31-11-7-6-9-29(31)35(45)37-30-10-8-18-36-34(30)42/h6-15,18,26H,5,16-17,19-25H2,1-4H3,(H,37,45)