2-[3-[[2-azanyl-2-(hydroxymethyl)-3-phenyl-propoxy]methyl]-5-(2-propylpyrrolidin-1-yl)carbonyl-phenyl]benzenecarbonitrile

Systemtic Name: 2-[3-[[2-azanyl-2-(hydroxymethyl)-3-phenyl-propoxy]methyl]-5-(2-propylpyrrolidin-1-yl)carbonyl-phenyl]benzenecarbonitrile Openeye Name: 2-[3-[(2-amino-2-benzyl-3-hydroxy-propoxy)methyl]-5-(2-propylpyrrolidine-1-carbonyl)phenyl]benzonitrile CAS Name: 2-[3-[[2-amino-2-(hydroxymethyl)-3-phenylpropoxy]methyl]-5-[oxo-(2-propyl-1-pyrrolidinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[3-[(2-amino-2-benzyl-3-hydroxypropoxy)methyl]-5-(2-propylpyrrolidine-1-carbonyl)phenyl]benzonitrile Traditional Name: 2-[3-[(2-amino-2-benzyl-3-hydroxy-propoxy)methyl]-5-(2-propylpyrrolidine-1-carbonyl)phenyl]benzonitrile Formula: C32H37N3O3 MolecularWeight: 511.65448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCN1C(=O)C2=CC(=CC(=C2)C3=CC=CC=C3C#N)COCC(CC4=CC=CC=C4)(CO)N

Isomeric SMILES

CCCC1CCCN1C(=O)C2=CC(=CC(=C2)C3=CC=CC=C3C#N)COCC(CC4=CC=CC=C4)(CO)N

InChI

InChI=1S/C32H37N3O3/c1-2-9-29-13-8-15-35(29)31(37)28-17-25(16-27(18-28)30-14-7-6-12-26(30)20-33)21-38-23-32(34,22-36)19-24-10-4-3-5-11-24/h3-7,10-12,14,16-18,29,36H,2,8-9,13,15,19,21-23,34H2,1H3