1-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]urea CAS Name: 1-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methyl-1-piperazinyl)ethyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]urea Traditional Name: 1-benzyl-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazino)ethyl]urea Formula: C25H35N5O MolecularWeight: 421.5783

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)NCC2=CC=CC=C2)C3=CC4=C(C=C3)N(CCC4)C

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)NCC2=CC=CC=C2)C3=CC4=C(C=C3)N(CCC4)C

InChI

InChI=1S/C25H35N5O/c1-28-13-15-30(16-14-28)24(19-27-25(31)26-18-20-7-4-3-5-8-20)22-10-11-23-21(17-22)9-6-12-29(23)2/h3-5,7-8,10-11,17,24H,6,9,12-16,18-19H2,1-2H3,(H2,26,27,31)