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

Systemtic Name: 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-[(4-methylphenyl)methyl]urea Openeye Name: 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-(p-tolylmethyl)urea CAS Name: 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-[(4-methylphenyl)methyl]urea IUPAC Name: 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-[(4-methylphenyl)methyl]urea Traditional Name: 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3-(4-methylbenzyl)urea Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-15(2)21(18-9-10-19-20(13-18)27-12-4-11-26-19)24-22(25)23-14-17-7-5-16(3)6-8-17/h5-10,13,15,21H,4,11-12,14H2,1-3H3,(H2,23,24,25)