N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(phenylmethyl)-propan-2-yl-amino]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(phenylmethyl)-propan-2-yl-amino]ethanamide Openeye Name: 2-[benzyl(isopropyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(phenylmethyl)-propan-2-ylamino]acetamide IUPAC Name: 2-[benzyl(propan-2-yl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[benzyl(isopropyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)CC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)CC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H26N2O3/c1-16(2)23(14-17-7-4-3-5-8-17)15-21(24)22-18-9-10-19-20(13-18)26-12-6-11-25-19/h3-5,7-10,13,16H,6,11-12,14-15H2,1-2H3,(H,22,24)