[(E)-[5-(methoxymethyl)-4-oxidanylidene-1-phenyl-2H-1,5-benzodiazepin-3-ylidene]amino] N-propylcarbamate

Systemtic Name: [(E)-[5-(methoxymethyl)-4-oxidanylidene-1-phenyl-2H-1,5-benzodiazepin-3-ylidene]amino] N-propylcarbamate Openeye Name: [(E)-[5-(methoxymethyl)-4-oxo-1-phenyl-2H-1,5-benzodiazepin-3-ylidene]amino] N-propylcarbamate CAS Name: N-propylcarbamic acid [(E)-[5-(methoxymethyl)-4-oxo-1-phenyl-2H-1,5-benzodiazepin-3-ylidene]amino] ester IUPAC Name: [(E)-[5-(methoxymethyl)-4-oxo-1-phenyl-2H-1,5-benzodiazepin-3-ylidene]amino] N-propylcarbamate Traditional Name: N-propylcarbamic acid [(E)-[4-keto-5-(methoxymethyl)-1-phenyl-2H-1,5-benzodiazepin-3-ylidene]amino] ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)ON=C1CN(C2=CC=CC=C2N(C1=O)COC)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)O/N=C/1\CN(C2=CC=CC=C2N(C1=O)COC)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4/c1-3-13-22-21(27)29-23-17-14-24(16-9-5-4-6-10-16)18-11-7-8-12-19(18)25(15-28-2)20(17)26/h4-12H,3,13-15H2,1-2H3,(H,22,27)/b23-17+