ethyl 1,1-dimethyl-3-[(3-phenoxyphenyl)carbamoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

Systemtic Name: ethyl 1,1-dimethyl-3-[(3-phenoxyphenyl)carbamoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 1,1-dimethyl-3-[(3-phenoxyphenyl)carbamoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 1,1-dimethyl-3-[oxo-(3-phenoxyanilino)methyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1,1-dimethyl-3-[(3-phenoxyphenyl)carbamoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 1,1-dimethyl-3-[(3-phenoxyphenyl)carbamoyl]-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C30H29N3O4 MolecularWeight: 495.56896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)NC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)NC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C30H29N3O4/c1-4-36-28(34)24-18-33(19-30(2,3)26-23-15-8-9-16-25(23)32-27(24)26)29(35)31-20-11-10-14-22(17-20)37-21-12-6-5-7-13-21/h5-18,32H,4,19H2,1-3H3,(H,31,35)