1-[[4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]-3-propan-2-yl-urea

Systemtic Name: 1-[[4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]-3-propan-2-yl-urea Openeye Name: 1-[[4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]-3-isopropyl-urea CAS Name: 1-[[4-[[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]methyl]-3-propan-2-ylurea IUPAC Name: 1-[[4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea Traditional Name: 1-[4-[4-(4-cyanobenzyl)piperazin-4-ium-1-carbonyl]benzyl]-3-isopropyl-urea Formula: C24H30N5O2+ MolecularWeight: 420.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H29N5O2/c1-18(2)27-24(31)26-16-20-7-9-22(10-8-20)23(30)29-13-11-28(12-14-29)17-21-5-3-19(15-25)4-6-21/h3-10,18H,11-14,16-17H2,1-2H3,(H2,26,27,31)/p+1