(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(phenylmethyl)propanamide Openeye Name: (2S)-N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanamide CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(phenylmethyl)propanamide IUPAC Name: (2S)-N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanamide Traditional Name: (2S)-N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propionamide Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H22N2O3/c1-14(19(22)20-13-15-6-3-2-4-7-15)21-16-8-9-17-18(12-16)24-11-5-10-23-17/h2-4,6-9,12,14,21H,5,10-11,13H2,1H3,(H,20,22)/t14-/m0/s1