2-azanyl-N-[5-(4-methylpiperazin-1-yl)-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl]propanamide

Systemtic Name: 2-azanyl-N-[5-(4-methylpiperazin-1-yl)-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl]propanamide Openeye Name: 2-amino-N-[5-(4-methylpiperazin-1-yl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: 2-amino-N-[5-(4-methyl-1-piperazinyl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 2-amino-N-[5-(4-methylpiperazin-1-yl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]propanamide Traditional Name: 2-amino-N-[2-keto-5-(4-methylpiperazino)-1-propyl-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C20H30N6O2 MolecularWeight: 386.4912

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(C)N)N3CCN(CC3)C

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(C)N)N3CCN(CC3)C

InChI

InChI=1S/C20H30N6O2/c1-4-9-26-16-8-6-5-7-15(16)18(25-12-10-24(3)11-13-25)22-17(20(26)28)23-19(27)14(2)21/h5-8,14,17H,4,9-13,21H2,1-3H3,(H,23,27)