N-(2-diethylaminoethyl)-5-(heptanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide

Systemtic Name: N-(2-diethylaminoethyl)-5-(heptanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide Openeye Name: N-(2-diethylaminoethyl)-5-(heptanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide CAS Name: N-(2-diethylaminoethyl)-2-[4-(2-methoxyphenyl)-1-piperazinyl]-5-(1-oxoheptylamino)benzamide IUPAC Name: N-(2-diethylaminoethyl)-5-(heptanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide Traditional Name: N-(2-diethylaminoethyl)-5-(enanthylamino)-2-[4-(2-methoxyphenyl)piperazino]benzamide Formula: C31H47N5O3 MolecularWeight: 537.73658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)NCCN(CC)CC

Isomeric SMILES

CCCCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)NCCN(CC)CC

InChI

InChI=1S/C31H47N5O3/c1-5-8-9-10-15-30(37)33-25-16-17-27(26(24-25)31(38)32-18-19-34(6-2)7-3)35-20-22-36(23-21-35)28-13-11-12-14-29(28)39-4/h11-14,16-17,24H,5-10,15,18-23H2,1-4H3,(H,32,38)(H,33,37)