5-(azepan-1-yl)-2-[(phenylmethyl)amino]pent-3-yn-1-ol

Systemtic Name: 5-(azepan-1-yl)-2-[(phenylmethyl)amino]pent-3-yn-1-ol Openeye Name: 5-(azepan-1-yl)-2-(benzylamino)pent-3-yn-1-ol CAS Name: 5-(1-azepanyl)-2-[(phenylmethyl)amino]-3-pentyn-1-ol IUPAC Name: 5-(azepan-1-yl)-2-(benzylamino)pent-3-yn-1-ol Traditional Name: 5-(azepan-1-yl)-2-(benzylamino)pent-3-yn-1-ol Formula: C18H26N2O MolecularWeight: 286.41184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC#CC(CO)NCC2=CC=CC=C2

Isomeric SMILES

C1CCCN(CC1)CC#CC(CO)NCC2=CC=CC=C2

InChI

InChI=1S/C18H26N2O/c21-16-18(19-15-17-9-4-3-5-10-17)11-8-14-20-12-6-1-2-7-13-20/h3-5,9-10,18-19,21H,1-2,6-7,12-16H2