tert-butyl 7-[[2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]methylcarbamoyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Systemtic Name: tert-butyl 7-[[2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]methylcarbamoyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Openeye Name: tert-butyl 7-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methylcarbamoyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate CAS Name: 7-[oxo-[[2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]methylamino]methyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methylcarbamoyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Traditional Name: 7-[[2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]methylcarbamoyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester Formula: C30H39N3O4 MolecularWeight: 505.64836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(CC1)C=C(C=C2)C(=O)NCC3CCN(C3=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC1)C=C(C=C2)C(=O)NCC3CCN(C3=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C30H39N3O4/c1-30(2,3)37-29(36)33-18-13-23-11-12-25(20-24(23)14-19-33)27(34)31-21-26-15-17-32(28(26)35)16-7-10-22-8-5-4-6-9-22/h4-6,8-9,11-12,20,26H,7,10,13-19,21H2,1-3H3,(H,31,34)