4-methyl-1-[4-[3-methylbutyl-(4-phenylmethoxyphenyl)amino]piperidin-1-yl]-2-[(phenylmethyl)amino]pentan-1-one

Systemtic Name: 4-methyl-1-[4-[3-methylbutyl-(4-phenylmethoxyphenyl)amino]piperidin-1-yl]-2-[(phenylmethyl)amino]pentan-1-one Openeye Name: 2-(benzylamino)-1-[4-(4-benzyloxy-N-isopentyl-anilino)-1-piperidyl]-4-methyl-pentan-1-one CAS Name: 4-methyl-1-[4-[N-(3-methylbutyl)-4-phenylmethoxyanilino]-1-piperidinyl]-2-[(phenylmethyl)amino]-1-pentanone IUPAC Name: 2-(benzylamino)-4-methyl-1-[4-[N-(3-methylbutyl)-4-phenylmethoxyanilino]piperidin-1-yl]pentan-1-one Traditional Name: 1-[4-(4-benzoxy-N-isoamyl-anilino)piperidino]-2-(benzylamino)-4-methyl-pentan-1-one Formula: C36H49N3O2 MolecularWeight: 555.79316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1CCN(CC1)C(=O)C(CC(C)C)NCC2=CC=CC=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CCN(C1CCN(CC1)C(=O)C(CC(C)C)NCC2=CC=CC=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C36H49N3O2/c1-28(2)19-24-39(32-15-17-34(18-16-32)41-27-31-13-9-6-10-14-31)33-20-22-38(23-21-33)36(40)35(25-29(3)4)37-26-30-11-7-5-8-12-30/h5-18,28-29,33,35,37H,19-27H2,1-4H3