7-chloranyl-N-[2-[4-(4-phenylazanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]quinolin-4-amine

Systemtic Name: 7-chloranyl-N-[2-[4-(4-phenylazanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]quinolin-4-amine Openeye Name: N-[2-[4-[4-anilino-6-(1-piperidyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-7-chloro-quinolin-4-amine CAS Name: N-[2-[4-[4-anilino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]-1-piperazinyl]ethyl]-7-chloro-4-quinolinamine IUPAC Name: N-[2-[4-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]-7-chloroquinolin-4-amine Traditional Name: 2-[4-(4-anilino-6-piperidino-s-triazin-2-yl)piperazino]ethyl-(7-chloro-4-quinolyl)amine Formula: C29H34ClN9 MolecularWeight: 544.09356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCN(CC4)CCNC5=C6C=CC(=CC6=NC=C5)Cl

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCN(CC4)CCNC5=C6C=CC(=CC6=NC=C5)Cl

InChI

InChI=1S/C29H34ClN9/c30-22-9-10-24-25(11-12-31-26(24)21-22)32-13-16-37-17-19-39(20-18-37)29-35-27(33-23-7-3-1-4-8-23)34-28(36-29)38-14-5-2-6-15-38/h1,3-4,7-12,21H,2,5-6,13-20H2,(H,31,32)(H,33,34,35,36)