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

Systemtic Name: N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[(cyclopropylamino)-oxomethyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazino]phenyl]adamantane-1-carboxamide Formula: C32H40N4O3 MolecularWeight: 528.685

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)NC7CC7

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)NC7CC7

InChI

InChI=1S/C32H40N4O3/c1-39-29-5-3-2-4-28(29)36-12-10-35(11-13-36)27-9-8-25(17-26(27)30(37)33-24-6-7-24)34-31(38)32-18-21-14-22(19-32)16-23(15-21)20-32/h2-5,8-9,17,21-24H,6-7,10-16,18-20H2,1H3,(H,33,37)(H,34,38)