N-[3-(4-ethylpiperazin-1-yl)propyl]-1-[(3-methoxyphenyl)amino]isoquinoline-4-carboxamide

Systemtic Name: N-[3-(4-ethylpiperazin-1-yl)propyl]-1-[(3-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(3-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-[3-(4-ethyl-1-piperazinyl)propyl]-1-(3-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(3-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-[3-(4-ethylpiperazino)propyl]-1-(m-anisidino)isoquinoline-4-carboxamide Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O2/c1-3-30-14-16-31(17-15-30)13-7-12-27-26(32)24-19-28-25(23-11-5-4-10-22(23)24)29-20-8-6-9-21(18-20)33-2/h4-6,8-11,18-19H,3,7,12-17H2,1-2H3,(H,27,32)(H,28,29)