N-[3-(butan-2-ylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(butan-2-ylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(sec-butylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[(butan-2-ylamino)-oxomethyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(butan-2-ylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(2-methoxyphenyl)piperazino]-3-(sec-butylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C33H44N4O3 MolecularWeight: 544.72746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCN(CC5)C6=CC=CC=C6OC

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCN(CC5)C6=CC=CC=C6OC

InChI

InChI=1S/C33H44N4O3/c1-4-22(2)34-31(38)27-18-26(35-32(39)33-19-23-15-24(20-33)17-25(16-23)21-33)9-10-28(27)36-11-13-37(14-12-36)29-7-5-6-8-30(29)40-3/h5-10,18,22-25H,4,11-17,19-21H2,1-3H3,(H,34,38)(H,35,39)