1-[6-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-propan-2-yl-urea

Systemtic Name: 1-[6-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-propan-2-yl-urea Openeye Name: 1-isopropyl-3-[6-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-[6-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-propan-2-ylurea IUPAC Name: 1-[6-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-propan-2-ylurea Traditional Name: 1-isopropyl-3-[6-(4-o-anisyl-1,4-diazepan-1-yl)-3-pyridyl]urea Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)CC3=CC=CC=C3OC

Isomeric SMILES

CC(C)NC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)CC3=CC=CC=C3OC

InChI

InChI=1S/C22H31N5O2/c1-17(2)24-22(28)25-19-9-10-21(23-15-19)27-12-6-11-26(13-14-27)16-18-7-4-5-8-20(18)29-3/h4-5,7-10,15,17H,6,11-14,16H2,1-3H3,(H2,24,25,28)