1-[2-(dimethylamino)-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3-pentyl-urea

Systemtic Name: 1-[2-(dimethylamino)-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3-pentyl-urea Openeye Name: 1-[2-(dimethylamino)-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3-pentyl-urea CAS Name: 1-[2-(dimethylamino)-6-[3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-3-pentylurea IUPAC Name: 1-[2-(dimethylamino)-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3-pentylurea Traditional Name: 1-amyl-3-[2-(dimethylamino)-6-[3-(4-phenylpiperazino)propoxy]phenyl]urea Formula: C27H41N5O2 MolecularWeight: 467.64674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC1=C(C=CC=C1OCCCN2CCN(CC2)C3=CC=CC=C3)N(C)C

Isomeric SMILES

CCCCCNC(=O)NC1=C(C=CC=C1OCCCN2CCN(CC2)C3=CC=CC=C3)N(C)C

InChI

InChI=1S/C27H41N5O2/c1-4-5-9-16-28-27(33)29-26-24(30(2)3)14-10-15-25(26)34-22-11-17-31-18-20-32(21-19-31)23-12-7-6-8-13-23/h6-8,10,12-15H,4-5,9,11,16-22H2,1-3H3,(H2,28,29,33)