4-(azepan-1-yl)-N-[1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-benzyloxy-3-methoxy-phenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(4-benzoxy-3-methoxy-benzyl)pyrrolidin-3-yl]amine Formula: C29H37N5O2 MolecularWeight: 487.63638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCC(C2)NC3=NC=CC(=N3)N4CCCCCC4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCC(C2)NC3=NC=CC(=N3)N4CCCCCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H37N5O2/c1-35-27-19-24(11-12-26(27)36-22-23-9-5-4-6-10-23)20-33-18-14-25(21-33)31-29-30-15-13-28(32-29)34-16-7-2-3-8-17-34/h4-6,9-13,15,19,25H,2-3,7-8,14,16-18,20-22H2,1H3,(H,30,31,32)