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

Systemtic Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(isopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-[oxo-(propan-2-ylamino)methyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[3-(isopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazino]phenyl]adamantane-1-carboxamide Formula: C32H42N4O3 MolecularWeight: 530.70088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H42N4O3/c1-21(2)33-30(37)26-17-25(34-31(38)32-18-22-14-23(19-32)16-24(15-22)20-32)8-9-27(26)35-10-12-36(13-11-35)28-6-4-5-7-29(28)39-3/h4-9,17,21-24H,10-16,18-20H2,1-3H3,(H,33,37)(H,34,38)