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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC(C2=CC3=C(C=C2)OCCCO3)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N[C@H](C2=CC3=C(C=C2)OCCCO3)C(C)C

InChI

InChI=1S/C21H26N2O3/c1-14(2)20(23-21(24)22-17-7-4-6-15(3)12-17)16-8-9-18-19(13-16)26-11-5-10-25-18/h4,6-9,12-14,20H,5,10-11H2,1-3H3,(H2,22,23,24)/t20-/m0/s1