ethyl 2-azanyl-8-[4-(methylcarbamoyl)phenyl]-3H-1-benzazepine-4-carboxylate

Systemtic Name: ethyl 2-azanyl-8-[4-(methylcarbamoyl)phenyl]-3H-1-benzazepine-4-carboxylate Openeye Name: ethyl 2-amino-8-[4-(methylcarbamoyl)phenyl]-3H-1-benzazepine-4-carboxylate CAS Name: 2-amino-8-[4-(methylcarbamoyl)phenyl]-3H-1-benzazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-8-[4-(methylcarbamoyl)phenyl]-3H-1-benzazepine-4-carboxylate Traditional Name: 2-amino-8-[4-(methylcarbamoyl)phenyl]-3H-1-benzazepine-4-carboxylic acid ethyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)NC)N=C(C1)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)NC)N=C(C1)N

InChI

InChI=1S/C21H21N3O3/c1-3-27-21(26)17-10-16-9-8-15(11-18(16)24-19(22)12-17)13-4-6-14(7-5-13)20(25)23-2/h4-11H,3,12H2,1-2H3,(H2,22,24)(H,23,25)