[5-[(4-methylpiperazin-1-yl)methyl]-2-oxidanylidene-1-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)-3H-1,4-benzodiazepin-3-yl]carbamic acid

Systemtic Name: [5-[(4-methylpiperazin-1-yl)methyl]-2-oxidanylidene-1-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)-3H-1,4-benzodiazepin-3-yl]carbamic acid Openeye Name: [1-(2-anilino-1-methyl-2-oxo-ethyl)-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid CAS Name: [1-(1-anilino-1-oxopropan-2-yl)-5-[(4-methyl-1-piperazinyl)methyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid IUPAC Name: [1-(1-anilino-1-oxopropan-2-yl)-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid Traditional Name: [1-(2-anilino-2-keto-1-methyl-ethyl)-2-keto-5-[(4-methylpiperazino)methyl]-3H-1,4-benzodiazepin-3-yl]carbamic acid Formula: C25H30N6O4 MolecularWeight: 478.5435

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)N2C3=CC=CC=C3C(=NC(C2=O)NC(=O)O)CN4CCN(CC4)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)N2C3=CC=CC=C3C(=NC(C2=O)NC(=O)O)CN4CCN(CC4)C

InChI

InChI=1S/C25H30N6O4/c1-17(23(32)26-18-8-4-3-5-9-18)31-21-11-7-6-10-19(21)20(16-30-14-12-29(2)13-15-30)27-22(24(31)33)28-25(34)35/h3-11,17,22,28H,12-16H2,1-2H3,(H,26,32)(H,34,35)