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

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-N-[3-(4-ethylpiperazin-1-yl)propyl]isoquinoline-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-anilino)-N-[3-(4-ethylpiperazin-1-yl)propyl]isoquinoline-4-carboxamide CAS Name: 1-(3-chloro-4-methylanilino)-N-[3-(4-ethyl-1-piperazinyl)propyl]-4-isoquinolinecarboxamide IUPAC Name: 1-(3-chloro-4-methylanilino)-N-[3-(4-ethylpiperazin-1-yl)propyl]isoquinoline-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-anilino)-N-[3-(4-ethylpiperazino)propyl]isoquinoline-4-carboxamide Formula: C26H32ClN5O MolecularWeight: 466.01818

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCNC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCN1CCN(CC1)CCCNC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C26H32ClN5O/c1-3-31-13-15-32(16-14-31)12-6-11-28-26(33)23-18-29-25(22-8-5-4-7-21(22)23)30-20-10-9-19(2)24(27)17-20/h4-5,7-10,17-18H,3,6,11-16H2,1-2H3,(H,28,33)(H,29,30)