3-[[2-azanyl-2-(hydroxymethyl)-3-phenyl-propoxy]methyl]-5-(2-cyanophenyl)-N,N-dipropyl-benzamide

Systemtic Name: 3-[[2-azanyl-2-(hydroxymethyl)-3-phenyl-propoxy]methyl]-5-(2-cyanophenyl)-N,N-dipropyl-benzamide Openeye Name: 3-[(2-amino-2-benzyl-3-hydroxy-propoxy)methyl]-5-(2-cyanophenyl)-N,N-dipropyl-benzamide CAS Name: 3-[[2-amino-2-(hydroxymethyl)-3-phenylpropoxy]methyl]-5-(2-cyanophenyl)-N,N-dipropylbenzamide IUPAC Name: 3-[(2-amino-2-benzyl-3-hydroxypropoxy)methyl]-5-(2-cyanophenyl)-N,N-dipropylbenzamide Traditional Name: 3-[(2-amino-2-benzyl-3-hydroxy-propoxy)methyl]-5-(2-cyanophenyl)-N,N-dipropyl-benzamide Formula: C31H37N3O3 MolecularWeight: 499.64378

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C2=CC=CC=C2C#N)COCC(CC3=CC=CC=C3)(CO)N

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C2=CC=CC=C2C#N)COCC(CC3=CC=CC=C3)(CO)N

InChI

InChI=1S/C31H37N3O3/c1-3-14-34(15-4-2)30(36)28-17-25(16-27(18-28)29-13-9-8-12-26(29)20-32)21-37-23-31(33,22-35)19-24-10-6-5-7-11-24/h5-13,16-18,35H,3-4,14-15,19,21-23,33H2,1-2H3