[(E)-[1-methyl-5-(4-methylpiperazin-1-yl)-2-oxidanylidene-1,4-benzodiazepin-3-ylidene]amino] N-ethylcarbamate

Systemtic Name: [(E)-[1-methyl-5-(4-methylpiperazin-1-yl)-2-oxidanylidene-1,4-benzodiazepin-3-ylidene]amino] N-ethylcarbamate Openeye Name: [(E)-[1-methyl-5-(4-methylpiperazin-1-yl)-2-oxo-1,4-benzodiazepin-3-ylidene]amino] N-ethylcarbamate CAS Name: N-ethylcarbamic acid [(E)-[1-methyl-5-(4-methyl-1-piperazinyl)-2-oxo-1,4-benzodiazepin-3-ylidene]amino] ester IUPAC Name: [(E)-[1-methyl-5-(4-methylpiperazin-1-yl)-2-oxo-1,4-benzodiazepin-3-ylidene]amino] N-ethylcarbamate Traditional Name: N-ethylcarbamic acid [(E)-[2-keto-1-methyl-5-(4-methylpiperazino)-1,4-benzodiazepin-3-ylidene]amino] ester Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)ON=C1C(=O)N(C2=CC=CC=C2C(=N1)N3CCN(CC3)C)C

Isomeric SMILES

CCNC(=O)O/N=C/1\C(=O)N(C2=CC=CC=C2C(=N1)N3CCN(CC3)C)C

InChI

InChI=1S/C18H24N6O3/c1-4-19-18(26)27-21-15-17(25)23(3)14-8-6-5-7-13(14)16(20-15)24-11-9-22(2)10-12-24/h5-8H,4,9-12H2,1-3H3,(H,19,26)/b21-15+