1-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]urea CAS Name: 1-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]urea Traditional Name: 1-benzyl-3-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]urea Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3/c1-15(2)20(23-21(24)22-14-16-7-4-3-5-8-16)17-9-10-18-19(13-17)26-12-6-11-25-18/h3-5,7-10,13,15,20H,6,11-12,14H2,1-2H3,(H2,22,23,24)/t20-/m0/s1