1-[3-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxidanylidene-propyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[3-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxidanylidene-propyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[3-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxo-propyl]urea CAS Name: 1-[3-[(2R)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]-3-oxopropyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[3-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxopropyl]urea Traditional Name: 1-benzyl-3-[3-keto-3-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]propyl]urea Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)CCNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1[C@H]2CCCCCN2C(=O)CCNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O2/c1-25-15-8-12-19(25)20-11-6-3-7-16-26(20)21(27)13-14-23-22(28)24-17-18-9-4-2-5-10-18/h2,4-5,8-10,12,15,20H,3,6-7,11,13-14,16-17H2,1H3,(H2,23,24,28)/t20-/m1/s1