ethyl 3-(3,4,5,10-tetrahydro-1H-azepino[3,4-b]indol-2-ylcarbonylamino)benzoate

Systemtic Name: ethyl 3-(3,4,5,10-tetrahydro-1H-azepino[3,4-b]indol-2-ylcarbonylamino)benzoate Openeye Name: ethyl 3-(3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carbonylamino)benzoate CAS Name: 3-[[oxo(3,4,5,10-tetrahydro-1H-azepino[3,4-b]indol-2-yl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carbonylamino)benzoate Traditional Name: 3-(3,4,5,10-tetrahydro-1H-azepin[3,4-b]indole-2-carbonylamino)benzoic acid ethyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCC3=C(C2)NC4=CC=CC=C34

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCC3=C(C2)NC4=CC=CC=C34

InChI

InChI=1S/C22H23N3O3/c1-2-28-21(26)15-7-5-8-16(13-15)23-22(27)25-12-6-10-18-17-9-3-4-11-19(17)24-20(18)14-25/h3-5,7-9,11,13,24H,2,6,10,12,14H2,1H3,(H,23,27)