N-[2-(azepan-1-yl)ethyl]-1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1-[6-(3-bromoanilino)pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-[6-(3-bromoanilino)-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-[6-(3-bromoanilino)pyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1-[6-(3-bromoanilino)pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C23H31BrN6O MolecularWeight: 487.43584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2CCCN2C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2CCCN2C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H31BrN6O/c24-18-7-5-8-19(15-18)28-21-16-22(27-17-26-21)30-13-6-9-20(30)23(31)25-10-14-29-11-3-1-2-4-12-29/h5,7-8,15-17,20H,1-4,6,9-14H2,(H,25,31)(H,26,27,28)