1-(dimethylamino)-1-(phenylmethyl)-3-(1-phenyl-7-pyridin-3-yl-heptan-4-yl)urea

Systemtic Name: 1-(dimethylamino)-1-(phenylmethyl)-3-(1-phenyl-7-pyridin-3-yl-heptan-4-yl)urea Openeye Name: 1-benzyl-1-(dimethylamino)-3-[1-(3-phenylpropyl)-4-(3-pyridyl)butyl]urea CAS Name: 1-(dimethylamino)-1-(phenylmethyl)-3-[1-phenyl-7-(3-pyridinyl)heptan-4-yl]urea IUPAC Name: 1-benzyl-1-(dimethylamino)-3-(1-phenyl-7-pyridin-3-ylheptan-4-yl)urea Traditional Name: 1-benzyl-1-(dimethylamino)-3-[1-(3-phenylpropyl)-4-(3-pyridyl)butyl]urea Formula: C28H36N4O MolecularWeight: 444.61164

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)N(CC1=CC=CC=C1)C(=O)NC(CCCC2=CC=CC=C2)CCCC3=CN=CC=C3

Isomeric SMILES

CN(C)N(CC1=CC=CC=C1)C(=O)NC(CCCC2=CC=CC=C2)CCCC3=CN=CC=C3

InChI

InChI=1S/C28H36N4O/c1-31(2)32(23-26-14-7-4-8-15-26)28(33)30-27(19-9-16-24-12-5-3-6-13-24)20-10-17-25-18-11-21-29-22-25/h3-8,11-15,18,21-22,27H,9-10,16-17,19-20,23H2,1-2H3,(H,30,33)