N-(2-diethylaminoethyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide

Systemtic Name: N-(2-diethylaminoethyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Openeye Name: N-(2-diethylaminoethyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(2-diethylaminoethyl)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(2-diethylaminoethyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Traditional Name: N-(2-diethylaminoethyl)-1-[4-(2-methoxyphenyl)piperazino]isoquinoline-4-carboxamide Formula: C27H35N5O2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C27H35N5O2/c1-4-30(5-2)15-14-28-27(33)23-20-29-26(22-11-7-6-10-21(22)23)32-18-16-31(17-19-32)24-12-8-9-13-25(24)34-3/h6-13,20H,4-5,14-19H2,1-3H3,(H,28,33)