2-[1-adamantylcarbamoyl(prop-2-enyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[1-adamantylcarbamoyl(prop-2-enyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(allyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-prop-2-enylamino]-N-[(1-methyl-2-pyrrolyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(prop-2-enyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(allyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C29H38N4O2 MolecularWeight: 474.63762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H38N4O2/c1-3-11-32(28(35)30-29-16-23-13-24(17-29)15-25(14-23)18-29)21-27(34)33(19-22-8-5-4-6-9-22)20-26-10-7-12-31(26)2/h3-10,12,23-25H,1,11,13-21H2,2H3,(H,30,35)