azepan-1-yl-[(3S)-2-[(2,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3S)-2-[(2,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone Openeye Name: azepan-1-yl-[(3S)-2-[(2,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: 1-azepanyl-[(3S)-2-[(2,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone IUPAC Name: azepan-1-yl-[(3S)-2-[(2,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone Traditional Name: azepan-1-yl-[(3S)-2-(2,5-dimethoxybenzyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CC3=CC=CC=C3CC2C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CC3=CC=CC=C3C[C@H]2C(=O)N4CCCCCC4

InChI

InChI=1S/C25H32N2O3/c1-29-22-11-12-24(30-2)21(15-22)18-27-17-20-10-6-5-9-19(20)16-23(27)25(28)26-13-7-3-4-8-14-26/h5-6,9-12,15,23H,3-4,7-8,13-14,16-18H2,1-2H3/t23-/m0/s1