9-methoxy-4-[(4-methylphenyl)methyl]-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 9-methoxy-4-[(4-methylphenyl)methyl]-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 9-methoxy-4-(p-tolylmethyl)-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-methoxy-4-[(4-methylphenyl)methyl]-7-(3-quinolinyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-methoxy-4-[(4-methylphenyl)methyl]-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 9-methoxy-4-(4-methylbenzyl)-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3OC)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3OC)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C27H26N2O2/c1-19-7-9-20(10-8-19)17-29-11-12-31-27-24(18-29)14-22(15-26(27)30-2)23-13-21-5-3-4-6-25(21)28-16-23/h3-10,13-16H,11-12,17-18H2,1-2H3