tert-butyl 3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-9-azaspiro[5.5]undecane-9-carboxylate

Systemtic Name: tert-butyl 3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-9-azaspiro[5.5]undecane-9-carboxylate Openeye Name: tert-butyl 3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-9-azaspiro[5.5]undecane-9-carboxylate CAS Name: 3-[[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]-9-azaspiro[5.5]undecane-9-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-9-azaspiro[5.5]undecane-9-carboxylate Traditional Name: 3-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-9-azaspiro[5.5]undecane-9-carboxylic acid tert-butyl ester Formula: C32H40N4O4 MolecularWeight: 544.6844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2(CCC(CC2)C(=O)NC3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C)CC1

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2(CCC(CC2)C(=O)NC3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C)CC1

InChI

InChI=1S/C32H40N4O4/c1-31(2,3)40-30(39)36-20-18-32(19-21-36)16-14-23(15-17-32)28(37)34-27-29(38)35(4)25-13-9-8-12-24(25)26(33-27)22-10-6-5-7-11-22/h5-13,23,27H,14-21H2,1-4H3,(H,34,37)