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

Systemtic Name: 2-[1-adamantylcarbamoyl(propan-2-yl)amino]-N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(isopropyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-propan-2-ylamino]-N-[(1-methyl-2-pyrrolyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(propan-2-yl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(isopropyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C29H40N4O2 MolecularWeight: 476.6535

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H40N4O2/c1-21(2)33(28(35)30-29-15-23-12-24(16-29)14-25(13-23)17-29)20-27(34)32(18-22-8-5-4-6-9-22)19-26-10-7-11-31(26)3/h4-11,21,23-25H,12-20H2,1-3H3,(H,30,35)