1-propan-2-yl-3-[[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]urea

Systemtic Name: 1-propan-2-yl-3-[[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]urea Openeye Name: 1-isopropyl-3-[[4-[4-(4-pyridylmethyl)piperazine-1-carbonyl]phenyl]methyl]urea CAS Name: 1-[[4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]phenyl]methyl]-3-propan-2-ylurea IUPAC Name: 1-propan-2-yl-3-[[4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]urea Traditional Name: 1-isopropyl-3-[4-[4-(4-pyridylmethyl)piperazine-1-carbonyl]benzyl]urea Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C22H29N5O2/c1-17(2)25-22(29)24-15-18-3-5-20(6-4-18)21(28)27-13-11-26(12-14-27)16-19-7-9-23-10-8-19/h3-10,17H,11-16H2,1-2H3,(H2,24,25,29)