1-[(3-chloranyl-4-methyl-phenyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]isoquinoline-4-carboxamide

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-[3-(4-methylpiperazin-1-yl)propyl]isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-[3-(4-methyl-1-piperazinyl)propyl]-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]isoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-[3-(4-methylpiperazino)propyl]isoquinoline-4-carboxamide Formula: C25H30ClN5O MolecularWeight: 451.9916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NCCCN4CCN(CC4)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NCCCN4CCN(CC4)C)Cl

InChI

InChI=1S/C25H30ClN5O/c1-18-8-9-19(16-23(18)26)29-24-21-7-4-3-6-20(21)22(17-28-24)25(32)27-10-5-11-31-14-12-30(2)13-15-31/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,27,32)(H,28,29)