3-azanyl-1-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-1-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-1-[2-keto-2-(4-methylpiperazino)ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)N)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)N)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2/c1-25-11-13-26(14-12-25)19(28)15-27-18-10-6-5-9-17(18)20(24-21(23)22(27)29)16-7-3-2-4-8-16/h2-10,21H,11-15,23H2,1H3