tert-butyl 3-[[(3R)-7-chloranyl-3-methyl-2-oxidanylidene-5-phenyl-1H-1,4-benzodiazepin-3-yl]methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[[(3R)-7-chloranyl-3-methyl-2-oxidanylidene-5-phenyl-1H-1,4-benzodiazepin-3-yl]methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[[(3R)-7-chloro-3-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]methyl]indole-1-carboxylate CAS Name: 3-[[(3R)-7-chloro-3-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(3R)-7-chloro-3-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]methyl]indole-1-carboxylate Traditional Name: 3-[[(3R)-7-chloro-2-keto-3-methyl-5-phenyl-1H-1,4-benzodiazepin-3-yl]methyl]indole-1-carboxylic acid tert-butyl ester Formula: C30H28ClN3O3 MolecularWeight: 514.01462

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC4=CN(C5=CC=CC=C54)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@]1(C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC4=CN(C5=CC=CC=C54)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H28ClN3O3/c1-29(2,3)37-28(36)34-18-20(22-12-8-9-13-25(22)34)17-30(4)27(35)32-24-15-14-21(31)16-23(24)26(33-30)19-10-6-5-7-11-19/h5-16,18H,17H2,1-4H3,(H,32,35)/t30-/m1/s1