[(E)-[7-methoxy-5-(methoxymethyl)-4-oxidanylidene-1-phenyl-2H-1,5-benzodiazepin-3-ylidene]amino] N-propylcarbamate

Systemtic Name: [(E)-[7-methoxy-5-(methoxymethyl)-4-oxidanylidene-1-phenyl-2H-1,5-benzodiazepin-3-ylidene]amino] N-propylcarbamate Openeye Name: [(E)-[7-methoxy-5-(methoxymethyl)-4-oxo-1-phenyl-2H-1,5-benzodiazepin-3-ylidene]amino] N-propylcarbamate CAS Name: N-propylcarbamic acid [(E)-[7-methoxy-5-(methoxymethyl)-4-oxo-1-phenyl-2H-1,5-benzodiazepin-3-ylidene]amino] ester IUPAC Name: [(E)-[7-methoxy-5-(methoxymethyl)-4-oxo-1-phenyl-2H-1,5-benzodiazepin-3-ylidene]amino] N-propylcarbamate Traditional Name: N-propylcarbamic acid [(E)-[4-keto-7-methoxy-5-(methoxymethyl)-1-phenyl-2H-1,5-benzodiazepin-3-ylidene]amino] ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)ON=C1CN(C2=C(C=C(C=C2)OC)N(C1=O)COC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5/c1-4-12-23-22(28)31-24-18-14-25(16-8-6-5-7-9-16)19-11-10-17(30-3)13-20(19)26(15-29-2)21(18)27/h5-11,13H,4,12,14-15H2,1-3H3,(H,23,28)/b24-18+